SCHEMBL3419701

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

	Compound	similarity	top predicted	shared targets
	SCHEMBL14328310	0.91	ALDH1A1 (0.42)	ALDH1A1MAPK1GRM2TNKSACHE
	SCHEMBL16558186	0.85	ALDH1A1 (0.58)	ALDH1A1MAPK1GRM2TNKSACHE
	SCHEMBL17915432	0.83	ALDH1A1 (0.33)	ALDH1A1MAPK1GRM2CYP1A2
	SCHEMBL29405243	0.83	ALDH1A1 (0.48)	ALDH1A1MAPK1GRM2TNKSACHE
	SCHEMBL2472443	0.80	GABRA1 (0.41)	ALDH1A1MAOBCYP1A2NPC1RAB9A
	SCHEMBL29596315	0.79	CYP11B1 (0.50)	ALDH1A1MAPK1GRM2MAOBCYP1B1
	SCHEMBL895891	0.79	CYP11B1 (0.50)	ALDH1A1MAPK1GRM2MAOBCYP1B1
	SCHEMBL3421191	0.79	ALDH1A1 (0.30)	ALDH1A1CYP1A2
	SCHEMBL3783118	0.78	CYP2A6 (0.47)	ALDH1A1ACHECYP1A1CYP1B1CYP1A2
	SCHEMBL23697444	0.78	CYP11B1 (0.49)	ALDH1A1MAPK1GRM2MAOBCYP1B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.